2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine

C30H32Si3 — CID 177288427

IUPAC2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine
SMILESC[Si]1(C)[Si](c2ccccc2)(c2ccccc2)CC=CC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32Si3/c1-31(2)32(27-17-7-3-8-18-27,28-19-9-4-10-20-28)25-15-16-26-33(31,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-24H,25-26H2,1-2H3
InChIKeyLMRMBRHUTYNAEK-UHFFFAOYSA-N
MW476.84 g/mol
LogP4.95
Rot. Bonds4

About 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine

2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine (PubChem CID 177288427) has the molecular formula C30H32Si3 and a molecular weight of 476.84 g/mol. Its IUPAC name is 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine.

Molecular Properties

Compound Name2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine
PubChem CID177288427
Molecular FormulaC30H32Si3
Molecular Weight476.84 g/mol
Exact Mass476.18
IUPAC Name2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine
SMILESC[Si]1(C)[Si](c2ccccc2)(c2ccccc2)CC=CC[Si]1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H32Si3/c1-31(2)32(27-17-7-3-8-18-27,28-19-9-4-10-20-28)25-15-16-26-33(31,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-24H,25-26H2,1-2H3
InChIKeyLMRMBRHUTYNAEK-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.84
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 13004938
1,1,2,2-tetraphenyldisilinane
CID 86071177
2,4,6,8-tetramethyl-2,4,6,8-tetraphenyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane
CID 6487
2,4,6-trimethyl-2,4,6-triphenyl-1,3,5,2,4,6-trithiatrisilinane
CID 15717312
3-methyl-3-phenyldioxasilirane
CID 57317747
1,1,2,6,6,7-hexamethyl-2,7-diphenyl-1,2,6,7-tetrasilecane
CID 11729896
4-methyl-4-phenyl-1,4-azasilinane
CID 66925910
2,4,4,5,5-pentamethyl-2-phenyl-1,3,2,4,5-dithiatrisilolane
CID 101044204
2,2,6,6-tetramethyl-4,4,8,8-tetraphenyl-1,3,5,7,2,4,6,8-tetrazatetrasilocane
CID 12550610
3,11,19-trimethyl-3,11,19-triphenyl-3,11,19-trisilatetracyclo[19.3.1.15,9.113,17]heptacosa-1(25),5(27),6,8,13,15,17(26),21,23-nonaene
CID 102463590
8,8,17,17-tetramethyl-2,2,4,4,12,12,14,14-octakis-phenyl-1,3,5,7,9,11,13,15,16,18-decaoxa-2,4,6,8,10,12,14,17-octasiladispiro[5.3.510.36]octadecane
CID 23266209
1,3-diethyl-1,3-diphenyl-1,3-disiletane
CID 139686277

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine?
The IUPAC name of 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine (CID 177288427) is 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine.
What is the SMILES notation for 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine?
The canonical SMILES for 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine is C[Si]1(C)[Si](c2ccccc2)(c2ccccc2)CC=CC[Si]1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine?
The InChIKey is LMRMBRHUTYNAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Si3/c1-31(2)32(27-17-7-3-8-18-27,28-19-9-4-10-20-28)25-15-16-26-33(31,29-21-11-5-12-22-29)30-23-13-6-14-24-30/h3-24H,25-26H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine?
2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine has a molecular weight of 476.84 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,1,3,3-tetraphenyl-4,7-dihydrotrisilepine is sourced from PubChem (CID 177288427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).